5-Chloro-2-[[3-(phenoxymethyl)benzoyl]carbamothioylamino]benzoic acid structure

5-Chloro-2-[[3-(phenoxymethyl)benzoyl]carbamothioylamino]benzoic acid

5-chloro-2-[[3-(phenoxymethyl)benzoyl]carbamothioylamino]benzoic acid

Also Known As: 5-CHLORO-2-[[[[3- BENZOYL]AMINO]THIOXOMETHYL]AMINO]-BENZOICACID|5-chloro-2-[[3-(phenoxymethyl)benzoyl]carbamothioylamino]benzoic acid|5-chloro-2-[[3-(phenoxymethyl)benzoyl]thiocarbamoylamino]benzoic Acid|5-Chloro-2-[[[[3-(phenoxymethyl)benzoyl ]amino]thioxomethyl ]amino]-benzoic acid

CAS: 535965-57-2
Molecular Formula C22H17ClN2O4S
Molecular Weight 440.05975 g/mol
LogP 4.744
Topological Polar Surface Area 87.66 Ų
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 4
Rotatable Bonds 6
Exact Mass 440.05975
Monoisotopic Mass 440.05975
Heavy Atoms 30
Complexity 1089.5055

Chemical Identifiers

CAS Number 535965-57-2
SMILES C1=CC=C(C=C1)OCC2=CC(=CC=C2)C(=O)NC(=S)NC3=C(C=C(C=C3)Cl)C(=O)O

Product Overview

5-Chloro-2-[[3-(phenoxymethyl)benzoyl]carbamothioylamino]benzoic acid (CAS 535965-57-2), with molecular formula C22H17ClN2O4S and molecular weight 440.05975 g/mol. IUPAC: 5-chloro-2-[[3-(phenoxymethyl)benzoyl]carbamothioylamino]benzoic acid.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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5-Chloro-2-[[3-(phenoxymethyl)benzoyl]carbamothioylamino]benzoic acid is a custom synthesis product. We offer services from milligram to kilogram scale.

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